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May 2026 Publications

June 2, 2026

Hydrogen-induced electronic modulation? Mesoscale atomic engineering? Surfactant protein doligomerization? A selection of recent publications featuring research using computers at the MGHPCC.

Adamji, Husain et al. (2026), Multi-objective Optimization of Synthetically Accessible Homogeneous Catalysts Reveals Tradeoffs for Methane-to-Methanol Conversion, via ChemRxiv, doi: 10.26434/chemrxiv.15002611/v1 

Axelrod, Simon et al (2026), Computational Design and Experimental Validation of Photoactive PARP1 Inhibitors, arXiv:2604.24634 [physics.chem-ph] 

Choi, Seou et al (2026), Hybrid Nanophotonic Scintillators for Enhanced X-ray Absorption, Emission, and Time Resolution, arXiv: 2605.14992 [physics. optics] 

de Curtò, J et al (2026), Energy-Aware Multilingual Vision–Language Models for Drone Smart Sensing, Drones, doi: 10.3390/drones10050361 

de Miranda Nascimento, Gabriel et al (2026), Mixture of Experts Framework in Machine Learning Interatomic Potentials for Atomistic Simulations, arXiv: 2604.26143 [physics.comp-ph] 

Farzad, Kiarash et al (2026), Application and Evaluation of a NOAA GFS‐Driven Air Quality Model Using CMAQv5.4 and High‐Resolution Emissions: FIREX‐AQ 2019, JGR Atmospheres, doi: 10.1029/2025JD045668 

Fotopoulous, Vasileios et al (2026), Hydrogen-Induced Electronic Modulation at MoS2/SiO2 Interfaces, Advanced Electronic Materials, doi: 10.1002/aelm.70402 

Gao, Qiang and Eslam Khalaf (2026), Microsopic Theory of Spin Polarons in Chern Ferromagnets, arXiv: 2605.05292 [cond-mat.str-el]  

Graham, Pierre-Anton et al (2026), Quantum Electron Quasicrystal, arXiv: 2605.06302 [cond-mat.str-el] 

Greene, J.L. et al (2026), DeepFilters: Scattering-Aware Pupil Engineering with Learned Digital Filter Reconstruction for Extended Depth of Field Microscopy, arXiv: 2605.13619 

Hilburg, S.L. et al (2026), Multimerization interactions between protein-inspired single-chain random heteropolymers, PLOS One, doi: 10.1371/journal.pone.0349103

Jain, Rahul et al (2026), Applied AI-Enhanced RF Interference Rejection, arXiv: 2604.22816 [eess.SP]  

Jang, Daniel and Richard Linares (2026), Simulating the Evolution of Lethal Nontrackable Population for Low-Earth-Orbit Sustainability, Journal of Spacecraft and Rockets, doi: 10.2514/1.A36198 

Zhong, Mingwang Zhong and Alain Karma (2026), Dealloying by peritectic melting, arXiv: 2605.25834 [cond-mat.mtrl-sci] 

Kim, S., Farrell, B.D. (2026), First reference genome for the family Disteniidae (Coleoptera: Chrysomeloidea), the sister lineage to all longhorned beetles (Cerambycidae), Sci Data, doi: 10.1038/s41597-026-07413-x 

Klein, J. et al. (2026), Mesoscale atomic engineering in a crystal lattice, Nature, doi: 10.1038/s41586-026-10431-9

Levi, Amit et al (2026), The Solubility of N2 in High-pressure Ice and Its Consequent Outgassing Limitations in Water Worlds, The Astrophysical Journal, doi: 10.3847/1538-4357/ae5820 

Li, Deng, and Mona S. Minkara (2026), Investigating the structural basis of surfactant protein Doligomerization: The crucial role of Cys15-Cys15/Cys20-Cys20 disulfide bond linkage, Protein Science, doi: 10.1002/pro.70634 

Lopez, Kelsie A. et al (2026), Pangenomes reveal extensive structural variation in a suboscine passerine bird, the Pearly-vented Tody-Tyrant (Hemitriccus margaritaceiventer), Genetics, doi: 10.1093/genetics/iyag109

Ma, Kaibo et al (2026), ErbB family receptor dimerization dynamics and dysregulation via long-term single-molecule imaging, Cell, doi 10.1016/j.cell.2026.04.010

Majumdar, Sauradeep et al (2026), Reweighting free energy profiles between universal machine learning interatomic potentials for fast consensus building, arXiv: 2605.15630 [physics-chem.ph]  

Malakar, Prottay et al (2026), Structural Changes and Oxygen Dimerization in Li-Rich Layered Oxide Cathodes: An Atomic-Scale, Chemistry of Materials, doi: 10.1021/acs.chemmater.5c03337

Meier, Timon et al (2026), Optimized mechano-fluidic metamaterials inspired by deep-sea sponges, Nature Communications, doi: 10.1038/s41467-026-72612-4 

Miller, D. J. et al (2026), MethaneSAT instrument spectral response functions during pre-launch calibration and on-orbit performance, via EGUsphere, doi: 10.5194/egusphere-2026-2675

Nasuto, Andrea et al (2026), Large language models identify immigration attitudes in online discourse regardless of language, Scientific Reports, doi: 10.1038/s41598-026-52167-6 

Nazaryan, Khachatur and Liang Fu (2026), QERNEL: a Scalable Large Electron Model, arXiv: 2604.26018 [cond-mat.str-e]  

Oh, Jaewon et al (2026), Antireflection by design in bilayer metasurfaces, arXiv: 2605.19970 [physics.optics]  

Petrov, Artem et al (2026), Surface-Adsorbed Nanodroplets of Symmetric Diblock Copolymers Form Versatile and Stimuli-Responsive Nanostructure, arXiv: 2605.00293 [cond-mat.soft]  

Rodriguez-Fernandez, P. et al (2026), Accelerating integrated modeling with surrogate-based optimization: the MAESTRO workflow, arXiv: 2605.07047 [physics.plasm-ph] 

Siwek, M. et al (2026), calypso: a Parameter-Conditioned Stochastic Surrogate Model for Circumbinary Accretion Time-Series, arXiv: 2605.23006 [astro-ph.HE] 

Sreenivasan, Adithya N et al (2026), Topology-Informed Design Rules for Deconstructable Thermoset Copolymer Networks, via ChemRxiv, doi: 10.26434/chemrxiv.15003272/v1

Willis, Adam et al (2026), Forced Gap Post-Selection for Quantum LDPC Codes and their Operations, arXiv: 2605.20346 [quant-ph]  

Wu, Haoyang et al (2026), QuantumPioneer: Scalable generation of quantum chemical data for solution-phase hydrogen transfer reactions, via Chemrxiv, doi: 10.26434/chemrxiv.15003516/v1 

Xiong, Z., Freund, R.M. (2026), Computational guarantees for restarted PDHG for LP based on “Limiting Error Ratios” and LP sharpness, Math. Program., doi: 10.1007/s10107-026-02358-w 

Xiao, Xiao and Arun Bansil (2026), Nodal Topological Superconductivity Driven by Crystalline Antiunitary Symmetry in Altermagnets, arXiv: 2605.13656 [cond-mat.supr-con]  

Yook, S. et al (2026), Northern Hemisphere wintertime stratospheric circulation response to smoke injection from a regional nuclear conflict, Geophysical Research Letters, doi: 10.1029/2026GL122395 

Do you have news about research using computing resources at the MGHPCC? If you have an interesting project that you want to tell people about or a paper you would like listed, contact 

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